N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine

C12H16BrNS — CID 115893699

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1sccc1Br
InChIInChI=1S/C12H16BrNS/c1-9(12-11(13)7-8-15-12)14-10-5-3-2-4-6-10/h3,5,7-10,14H,2,4,6H2,1H3
InChIKeyCDDSFSCHXUNKNN-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.27
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 115893699) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID115893699
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)c1sccc1Br
InChIInChI=1S/C12H16BrNS/c1-9(12-11(13)7-8-15-12)14-10-5-3-2-4-6-10/h3,5,7-10,14H,2,4,6H2,1H3
InChIKeyCDDSFSCHXUNKNN-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
N-(1-thiophen-2-ylpropyl)cyclohex-2-en-1-amine
CID 115893597
N-[1-(5-bromofuran-2-yl)ethyl]cyclopent-2-en-1-amine
CID 164654731
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine (CID 115893699) is N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine is CC(NC1C=CCCC1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is CDDSFSCHXUNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c1-9(12-11(13)7-8-15-12)14-10-5-3-2-4-6-10/h3,5,7-10,14H,2,4,6H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 286.24 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 115893699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).